N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C14H23N3O2 — CID 65082002

IUPACN-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NC1CCCOCC1
InChIInChI=1S/C14H23N3O2/c1-3-12(5-8-18-6-1)16-13-9-15-17(10-13)11-14-4-2-7-19-14/h9-10,12,14,16H,1-8,11H2
InChIKeyPOKGDDOOWOMLCN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds4

About N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 65082002) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID65082002
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NC1CCCOCC1
InChIInChI=1S/C14H23N3O2/c1-3-12(5-8-18-6-1)16-13-9-15-17(10-13)11-14-4-2-7-19-14/h9-10,12,14,16H,1-8,11H2
InChIKeyPOKGDDOOWOMLCN-UHFFFAOYSA-N
XLogP2.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 65082002) is N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is c1nn(CC2CCCO2)cc1NC1CCCOCC1.
What is the InChIKey of N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is POKGDDOOWOMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12(5-8-18-6-1)16-13-9-15-17(10-13)11-14-4-2-7-19-14/h9-10,12,14,16H,1-8,11H2.
What are the key properties of N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 65082002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).